5-N-(4-methylpentyl)-1,2-thiazole-3,5-diamine

C9H17N3S — CID 103359312

IUPAC5-N-(4-methylpentyl)-1,2-thiazole-3,5-diamine
SMILESCC(C)CCCNc1cc(N)ns1
InChIInChI=1S/C9H17N3S/c1-7(2)4-3-5-11-9-6-8(10)12-13-9/h6-7,11H,3-5H2,1-2H3,(H2,10,12)
InChIKeyMGAJOGFOCKPOKT-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.57
Rot. Bonds5

About 5-N-(4-methylpentyl)-1,2-thiazole-3,5-diamine

5-N-(4-methylpentyl)-1,2-thiazole-3,5-diamine (PubChem CID 103359312) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is 5-N-(4-methylpentyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(4-methylpentyl)-1,2-thiazole-3,5-diamine
PubChem CID103359312
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC Name5-N-(4-methylpentyl)-1,2-thiazole-3,5-diamine
SMILESCC(C)CCCNc1cc(N)ns1
InChIInChI=1S/C9H17N3S/c1-7(2)4-3-5-11-9-6-8(10)12-13-9/h6-7,11H,3-5H2,1-2H3,(H2,10,12)
InChIKeyMGAJOGFOCKPOKT-UHFFFAOYSA-N
XLogP2.57
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-N-(4-methylpentyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(4-methylpentyl)-1,2-thiazole-3,5-diamine (CID 103359312) is 5-N-(4-methylpentyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(4-methylpentyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(4-methylpentyl)-1,2-thiazole-3,5-diamine is CC(C)CCCNc1cc(N)ns1.
What is the InChIKey of 5-N-(4-methylpentyl)-1,2-thiazole-3,5-diamine?
The InChIKey is MGAJOGFOCKPOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-7(2)4-3-5-11-9-6-8(10)12-13-9/h6-7,11H,3-5H2,1-2H3,(H2,10,12).
What are the key properties of 5-N-(4-methylpentyl)-1,2-thiazole-3,5-diamine?
5-N-(4-methylpentyl)-1,2-thiazole-3,5-diamine has a molecular weight of 199.32 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-methylpentyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).